SCHEMBL21787231

SCHEMBL21787231

Cc1n[nH]c(-c2nc(Cc3ccccc3F)c3cnccn23)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
METAP2 P50579 1/20 0.32
PDE5A O76074 3/20 0.32
ADRB2 P07550 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALPL P05186 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
BRD4 O60885 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20148879 0.87 AR (0.41) ARKDM4EALDH1A1PDE5AALPL
SCHEMBL20139673 0.87 AR (0.34) ARKDM4EALDH1A1METAP2PDE5A
SCHEMBL21564214 0.80 AR (0.37) ARKDM4EALDH1A1METAP2PDE5A
SCHEMBL21787186 0.78 AR (0.38) ARKDM4EALDH1A1PDE5AALPL
SCHEMBL21564207 0.73 AR (0.39) ARKDM4EALDH1A1PDE5AGUCY1A1
SCHEMBL20148902 0.73 HIF1A (0.43) ARKDM4EALDH1A1PDE5AALPL
SCHEMBL20148877 0.73 AR (0.39) ARKDM4EALDH1A1PDE5AGUCY1A1
SCHEMBL20148918 0.73 AR (0.40) ARKDM4EALDH1A1PDE5AGUCY1A1
SCHEMBL20140398 0.73 CYP19A1 (0.34) ARKDM4EALDH1A1ADRB2NPC1
SCHEMBL20140279 0.72 KMT2A (0.39) KDM4EALDH1A1NPC1RAB9AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
US-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A AR 4566/4885KDM4E 3627/4885ALDH1A1 2298/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A AR 4568/4885KDM4E 3552/4885ALDH1A1 2355/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A AR 4566/4885KDM4E 3627/4885ALDH1A1 2298/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.